SCHEMBL4841797

SCHEMBL4841797

COc1cc(CC(=O)O)ccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.42
TRPA1 O75762 2/20 0.41
ELANE P08246 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4838051 0.94 TRPA1 (0.41) RORCTRPA1ELANEKMT2ATDP1
SCHEMBL4842663 0.90 TRPA1 (0.42) RORCTRPA1ELANEKMT2ATDP1
SCHEMBL4837623 0.90 TRPA1 (0.46) RORCTRPA1LMNAMMP8MMP3
SCHEMBL4039610 0.90 RAB9A (0.47) RORCTRPA1KMT2ATDP1LMNA
SCHEMBL4833021 0.90 TRPA1 (0.42) RORCTRPA1LMNAMMP8MMP3
SCHEMBL4844778 0.89 TRPA1 (0.42) RORCTRPA1ELANEKMT2ATDP1
SCHEMBL4841159 0.89 RORC (0.40) RORCPTGDR2LMNAMMP8MMP3
SCHEMBL4834178 0.89 BACE1 (0.47) RORCTRPA1MMP8MMP3
SCHEMBL4842475 0.89 BACE1 (0.47) RORCTRPA1MMP8MMP3
SCHEMBL4842623 0.89 BACE1 (0.47) RORCTRPA1MMP8MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 RORC 1777/4885TRPA1 368/4885ELANE 3852/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.